Vibrational Frequencies calculated at MP2/cc-pVDZ
| Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
| 1 |
A1 |
1189 |
1132 |
143.61 |
|
|
|
| 2 |
A1 |
535 |
510 |
124.91 |
|
|
|
| 3 |
A1 |
376 |
358 |
2.55 |
|
|
|
| 4 |
A1 |
200 |
191 |
0.01 |
|
|
|
| 5 |
A2 |
257 |
245 |
0.00 |
|
|
|
| 6 |
B1 |
552 |
526 |
320.72 |
|
|
|
| 7 |
B1 |
355 |
338 |
8.15 |
|
|
|
| 8 |
B2 |
1437 |
1369 |
167.49 |
|
|
|
| 9 |
B2 |
342 |
326 |
9.31 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2621.5 cm
-1
Scaled (by 0.9525) Zero Point Vibrational Energy (zpe) 2497.0 cm
-1
See section
III.C.1 List or set vibrational scaling factors
to change the scale factors used here.
See section
III.C.2
Calculate a vibrational scaling factor for a given set of molecules
to determine the least squares best scaling factor.